(4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid

C24H32FNO5 — CID 130192361

IUPAC(4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESC=CCC(CC)(CC)COc1cc(F)c(C(=O)N2CO[C@@H](C)[C@@H]2C(=O)O)cc1C1CC1
InChIInChI=1S/C24H32FNO5/c1-5-10-24(6-2,7-3)13-30-20-12-19(25)18(11-17(20)16-8-9-16)22(27)26-14-31-15(4)21(26)23(28)29/h5,11-12,15-16,21H,1,6-10,13-14H2,2-4H3,(H,28,29)/t15-,21+/m0/s1
InChIKeyQLEHITWLAQJRID-YCRPNKLZSA-N
MW433.52 g/mol
LogP4.74
Rot. Bonds10

About (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid

(4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 130192361) has the molecular formula C24H32FNO5 and a molecular weight of 433.52 g/mol. Its IUPAC name is (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID130192361
Molecular FormulaC24H32FNO5
Molecular Weight433.52 g/mol
Exact Mass433.23
IUPAC Name(4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESC=CCC(CC)(CC)COc1cc(F)c(C(=O)N2CO[C@@H](C)[C@@H]2C(=O)O)cc1C1CC1
InChIInChI=1S/C24H32FNO5/c1-5-10-24(6-2,7-3)13-30-20-12-19(25)18(11-17(20)16-8-9-16)22(27)26-14-31-15(4)21(26)23(28)29/h5,11-12,15-16,21H,1,6-10,13-14H2,2-4H3,(H,28,29)/t15-,21+/m0/s1
InChIKeyQLEHITWLAQJRID-YCRPNKLZSA-N
XLogP4.74
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5,5-dimethylpyrrolidine-2-carboxylic acid
CID 137458320
5-cyclopropyl-N-cyclopropylsulfonyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzamide
CID 130457764
5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluoro-N-pyrrolidin-1-ylsulfonylbenzamide
CID 130457843
(4S,5R)-3-[5-cyclopropyl-4-[(3,5-dichlorophenoxy)methyl]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
CID 118653976
methyl (4S,5R)-3-[5-cyclopropyl-2-fluoro-4-(piperidin-1-ium-4-ylmethoxy)benzoyl]-5-methyl-1,3-oxazolidine-4-carboxylate;2,2,2-trifluoroacetate
CID 129315168
methyl (4S,5R)-3-[5-cyclopropyl-4-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylate
CID 130184837
(4S,5R)-3-[5-cyclopropyl-4-[[1-[(1R)-1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]piperidin-4-yl]oxymethyl]-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid
CID 140912491
(4S)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-hydroxy-3-methylpyrrolidine-2-carboxylic acid
CID 118649104
(2S,3R)-1-[5-cyclopropyl-4-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methoxy]-2-fluorobenzoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 138700113
(2S,3S)-1-[5-cyclopropyl-4-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methoxy]-2-fluorobenzoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 138699490
(2S,4R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-4-methoxy-3-methylpyrrolidine-2-carboxylic acid
CID 118653894
(2S,3R)-1-[4-(1-adamantylmethoxy)-5-cyclopropyl-2-fluorobenzoyl]-3-hydroxypyrrolidine-2-carboxylic acid
CID 118653863

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid (CID 130192361) is (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid is C=CCC(CC)(CC)COc1cc(F)c(C(=O)N2CO[C@@H](C)[C@@H]2C(=O)O)cc1C1CC1.
What is the InChIKey of (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is QLEHITWLAQJRID-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H32FNO5/c1-5-10-24(6-2,7-3)13-30-20-12-19(25)18(11-17(20)16-8-9-16)22(27)26-14-31-15(4)21(26)23(28)29/h5,11-12,15-16,21H,1,6-10,13-14H2,2-4H3,(H,28,29)/t15-,21+/m0/s1.
What are the key properties of (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid?
(4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 433.52 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[5-cyclopropyl-4-(2,2-diethylpent-4-enoxy)-2-fluorobenzoyl]-5-methyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 130192361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).